SCHEMBL12147191

SCHEMBL12147191

COc1ccc(CN2CCNc3ncc(Br)nc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 1/20 0.43
GAA P10253 1/20 0.41
SIGMAR1 Q99720 2/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HTR3A P46098 1/20 0.37
IDO1 P14902 1/20 0.37
MMP1 P03956 1/20 0.37
MMP13 P45452 1/20 0.37
AURKA O14965 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12146483 0.94 PDE1B (0.41) PDE1BGAASIGMAR1SMN1; SMN2HTR3A
SCHEMBL12146485 0.81 MEN1 (0.43) PDE1BGAAKDM4EMAPTKMT2A
SCHEMBL1365924 0.74 ALK (0.49) AURKAALDH1A1
SCHEMBL12146053 0.73 PDE1B (0.39) PDE1BGAASIGMAR1SMN1; SMN2AURKA
SCHEMBL27030438 0.72 GAA (0.41) GAASIGMAR1SMN1; SMN2IDO1MMP1
SCHEMBL1369150 0.70 ALK (0.56) AURKA
SCHEMBL4003120 0.70 GAA (0.66) GAASIGMAR1HSD17B10SMN1; SMN2MMP1
SCHEMBL24709627 0.69 GAA (0.52) GAASIGMAR1HSD17B10SMN1; SMN2MMP1
SCHEMBL482116 0.68 MEN1 (0.43) HSD17B10AURKAKMT2AALDH1A1CYP1A2
Bromide SCHEMBL31141402 0.68 GAA (0.51) GAASIGMAR1HSD17B10SMN1; SMN2MMP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2365809-B1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMA INC (US) 2018-07-18 EP disclosed
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. 2014-12-11 US disclosed
US-8846664-B2 Pyrazinopyrazines and derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
WO-2010056311-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors MAP3K5, MAP3K15, MAP4K2 PDE1B 1385/4885GAA 3246/4885SIGMAR1 3181/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 PDE1B 1385/4885GAA 3246/4885SIGMAR1 3181/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.